#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lup n GLN 3 N -4.33 0.00 0.00 0.00 1.13 -1.24 -4.43 117.38 108.50 1lup n GLN 3 Ca -0.08 0.32 0.00 0.00 -1.94 0.00 0.00 57.00 55.30 1lup n GLN 3 Cb 0.60 -0.50 0.00 0.00 0.11 0.00 0.00 30.24 30.46 1lup n GLN 3 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 1lup n LYS 4 N -2.12 0.00 -1.44 -1.09 0.00 -1.26 -4.94 118.16 107.31 1lup n LYS 4 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1lup n LYS 4 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.04 1lup n LYS 4 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.40 179.27 1lup n TRP 5 N -0.23 -0.67 -2.95 5.64 -0.00 -1.26 -2.97 117.44 115.01 1lup n TRP 5 Ca 0.00 0.60 -0.11 0.00 -0.00 0.00 0.00 57.50 57.99 1lup n TRP 5 Cb 0.00 -1.97 0.05 0.00 -0.00 0.00 0.00 31.31 29.40 1lup n TRP 5 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 1lup n MET 6 N 0.66 -4.20 -4.06 5.87 2.81 0.32 -4.83 117.12 113.70 1lup n MET 6 Ca 0.11 0.50 -0.27 0.00 -1.81 0.00 0.00 57.70 56.24 1lup n MET 6 Cb 0.40 -4.50 -0.05 0.00 -0.71 0.00 0.00 33.22 28.35 1lup n MET 6 CO 0.00 0.00 0.00 -0.46 1.51 0.00 0.00 175.97 177.02 1lup s TRP 7 N -3.21 3.20 -0.32 2.03 -0.11 -1.16 -4.44 118.94 114.94 1lup s TRP 7 Ca 0.11 0.02 -0.31 0.00 1.22 0.00 0.00 56.10 57.14 1lup s TRP 7 Cb -0.05 -1.55 -0.08 0.00 -1.50 0.00 0.00 33.47 30.29 1lup s TRP 7 CO 0.43 0.52 2.25 2.41 -4.62 0.00 0.00 176.95 177.94 1lup n THR 8 N -0.25 0.23 -3.06 5.86 -1.04 -1.26 -2.00 114.28 112.75 1lup n THR 8 Ca -0.08 -0.41 -0.39 0.00 -2.04 0.00 0.00 64.05 61.13 1lup n THR 8 Cb 0.54 -2.18 -0.06 0.00 -1.82 0.00 0.00 70.33 66.82 1lup n THR 8 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1lup n ASP 10 N 2.34 0.00 -0.27 0.00 2.03 -1.26 -4.83 116.55 114.56 1lup n ASP 10 Ca -0.05 -0.10 0.30 0.00 0.52 0.00 0.00 54.79 55.46 1lup n ASP 10 Cb 0.50 0.00 0.68 0.00 -0.72 0.00 0.00 41.12 41.58 1lup n ASP 10 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1lup h GLU 11 N 0.00 0.09 -3.65 -0.67 5.08 -2.06 -3.24 114.58 110.13 1lup h GLU 11 Ca 0.00 -0.01 -0.60 0.00 -1.00 0.00 0.00 59.36 57.75 1lup h GLU 11 Cb 0.00 -0.02 -0.40 0.00 0.50 0.00 0.00 28.75 28.83 1lup h GLU 11 CO 0.00 0.06 -0.75 -1.83 -1.00 0.00 0.00 179.01 175.50 1lup s GLU 12 N -5.09 0.92 0.38 2.33 1.03 -1.26 -5.12 118.70 111.90 1lup s GLU 12 Ca -0.06 -1.35 -0.06 0.00 0.03 0.00 0.00 54.97 53.53 1lup s GLU 12 Cb 0.23 -2.24 -0.05 0.00 -0.80 0.00 0.00 34.13 31.27 1lup s GLU 12 CO 0.79 -1.01 0.68 1.03 -1.33 0.00 0.00 175.26 175.43 1lup s ARG 13 N 1.31 3.64 0.05 -4.83 1.81 -1.23 -4.94 118.95 114.75 1lup s ARG 13 Ca 0.11 0.16 -0.03 0.00 -1.72 0.00 0.00 55.73 54.25 1lup s ARG 13 Cb -0.19 -2.50 -0.01 0.00 -0.45 0.00 0.00 34.95 31.81 1lup s ARG 13 CO -0.19 0.02 -0.05 1.63 -0.68 0.00 0.00 175.30 176.03 1lup n LYS 14 N -1.50 0.08 -1.15 3.54 4.01 -1.26 -4.92 118.16 116.96 1lup n LYS 14 Ca -0.00 0.03 -0.37 0.00 -0.51 0.00 0.00 58.31 57.46 1lup n LYS 14 Cb 0.54 -0.59 0.02 0.00 -0.51 0.00 0.00 35.03 34.49 1lup n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1lup h GLU 17 N 3.90 0.00 -0.01 0.00 4.11 -2.00 -0.32 114.58 120.27 1lup h GLU 17 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1lup h GLU 17 Cb 1.29 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1lup h GLU 17 CO 0.73 0.00 0.11 0.78 0.07 0.00 0.00 179.01 180.70 1lup h GLY 18 N 0.00 0.00 -5.44 1.06 0.00 -1.98 -3.40 103.07 93.30 1lup h GLY 18 Ca 0.13 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 1lup h GLY 18 CO -0.00 0.00 -0.18 1.08 0.00 0.00 0.00 176.54 177.44 1lup s LEU 19 N -6.13 4.32 0.98 3.11 1.43 -0.13 -4.87 118.68 117.40 1lup s LEU 19 Ca -0.04 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 1lup s LEU 19 Cb 0.12 -2.63 0.12 0.00 0.03 0.00 0.00 46.19 43.83 1lup s LEU 19 CO 0.38 0.09 0.74 0.55 0.23 0.00 0.00 176.35 178.34 1lup n VAL 20 N 3.20 0.00 -4.01 -1.59 3.14 0.97 -4.68 118.33 115.37 1lup n VAL 20 Ca -0.09 -0.15 -0.34 0.00 -2.96 0.00 0.00 64.34 60.80 1lup n VAL 20 Cb 0.52 -0.82 -0.15 0.00 -1.06 0.00 0.00 33.84 32.33 1lup n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1lup s ARG 22 N 1.31 0.30 0.00 0.00 3.00 -1.26 -4.99 118.95 117.31 1lup s ARG 22 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 55.73 55.94 1lup s ARG 22 Cb -0.16 0.11 0.00 0.00 0.00 0.00 0.00 34.95 34.90 1lup s ARG 22 CO -0.07 -0.53 0.00 -0.11 0.00 0.00 0.00 175.30 174.60 1lup n LEU 23 N 4.98 0.00 -3.80 2.53 -0.00 -1.26 -4.56 117.00 114.88 1lup n LEU 23 Ca 0.08 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.96 1lup n LEU 23 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.85 1lup n LEU 23 CO -0.12 0.00 -0.30 -1.66 -0.00 0.00 0.00 177.39 175.30 1lup s TRP 24 N 0.00 -0.05 0.04 1.96 -2.14 -1.26 -3.07 118.94 114.43 1lup s TRP 24 Ca 0.00 0.20 -0.38 0.00 2.66 0.00 0.00 56.10 58.58 1lup s TRP 24 Cb 0.00 -0.09 -0.19 0.00 -3.10 0.00 0.00 33.47 30.09 1lup s TRP 24 CO 0.00 -0.08 1.11 0.00 -2.66 0.00 0.00 176.95 175.32 1lup s LYS 26 N 0.04 0.92 0.79 0.00 2.20 -1.05 0.12 119.74 122.76 1lup s LYS 26 Ca 0.87 -1.39 -0.04 0.00 -0.36 0.00 0.00 55.97 55.05 1lup s LYS 26 Cb -1.15 -0.30 0.16 0.00 -1.51 0.00 0.00 37.83 35.02 1lup s LYS 26 CO 0.54 -0.01 1.09 1.03 -0.36 0.00 0.00 175.35 177.64 1lup s ARG 27 N -3.83 1.34 -0.23 4.03 3.00 -1.26 -0.02 118.95 121.97 1lup s ARG 27 Ca 0.15 -1.03 -0.19 0.00 0.00 0.00 0.00 55.73 54.66 1lup s ARG 27 Cb 0.05 -2.22 0.06 0.00 0.00 0.00 0.00 34.95 32.85 1lup s ARG 27 CO -0.02 -1.74 0.61 0.96 0.00 0.00 0.00 175.30 175.10 1lup s ILE 28 N -3.34 -0.00 0.07 1.52 -5.25 -1.26 -4.75 121.20 108.18 1lup s ILE 28 Ca 0.69 0.01 -0.07 0.00 -0.99 0.00 0.00 60.65 60.29 1lup s ILE 28 Cb -0.04 -0.86 -0.01 0.00 2.95 0.00 0.00 42.46 44.50 1lup s ILE 28 CO 0.47 0.00 0.15 -0.63 -1.79 0.00 0.00 174.94 173.14 1lup s ILE 29 N 0.77 0.15 -0.51 8.37 1.09 -1.26 -5.12 121.20 124.69 1lup s ILE 29 Ca -0.04 -1.22 0.07 0.00 -1.10 0.00 0.00 60.65 58.36 1lup s ILE 29 Cb -0.05 -1.25 0.19 0.00 -1.06 0.00 0.00 42.46 40.29 1lup s ILE 29 CO -0.06 -0.67 0.71 0.59 -0.10 0.00 0.00 174.94 175.41 1lup n ASN 30 N 0.17 -3.25 0.00 3.58 5.03 -1.26 -5.32 115.26 114.21 1lup n ASN 30 Ca -0.16 -2.90 0.03 0.00 0.87 0.00 0.00 54.58 52.42 1lup n ASN 30 Cb 0.61 1.61 0.18 0.00 -1.02 0.00 0.00 39.78 41.16 1lup n ASN 30 CO 0.00 0.00 0.00 1.15 -1.83 0.00 0.00 177.26 176.58